[lammps-users] Thole damping function

From:

jo jo <jojo412202@...24...>

Date:

Thu, 29 Jun 2017 22:44:56 -0400

Hello,

I would like to simulate a mixture of water (polarizable using drude particle, point charge with Thole damping function) and co2 (nonpolarizable, point charge). Is there a way for lammps to handle both a (point charge potential) and a (point charge + Thole potential) in an input file? Can I turn off the thole damping function for the point charge co2 model by perhaps changing the damping parameter?